3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one

C13H22BrNO — CID 79877891

IUPAC3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
SMILESCC1(C)CCCCC1N1CCCC(Br)C1=O
InChIInChI=1S/C13H22BrNO/c1-13(2)8-4-3-7-11(13)15-9-5-6-10(14)12(15)16/h10-11H,3-9H2,1-2H3
InChIKeyGCZKVHOELQAUAZ-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.34
Rot. Bonds1

About 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one

3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one (PubChem CID 79877891) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
PubChem CID79877891
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
SMILESCC1(C)CCCCC1N1CCCC(Br)C1=O
InChIInChI=1S/C13H22BrNO/c1-13(2)8-4-3-7-11(13)15-9-5-6-10(14)12(15)16/h10-11H,3-9H2,1-2H3
InChIKeyGCZKVHOELQAUAZ-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2,2,3,3-tetramethylcyclopropyl)piperidin-2-one
CID 79350617
3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
CID 114541337
1-(2,2-dimethylcyclopentyl)-3-(propan-2-ylamino)piperidin-2-one
CID 79877894
1-(2,2-dimethylcyclohexyl)pyrrolidin-3-one
CID 79871529
1-(2,2-dimethylcyclohexyl)pyrrolidin-2-imine
CID 79871416
3-bromo-1-[1-(1-methylcyclopropyl)cyclopropyl]piperidin-2-one
CID 130941266
1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
CID 79870484
11-(2,2-dimethylcyclopentyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 79872046
3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
CID 130992749
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one (CID 79877891) is 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one is CC1(C)CCCCC1N1CCCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one?
The InChIKey is GCZKVHOELQAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-13(2)8-4-3-7-11(13)15-9-5-6-10(14)12(15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one?
3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one has a molecular weight of 288.23 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one is sourced from PubChem (CID 79877891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).